(3R)-3-amino-N-[1,1-dioxo-4-(4-phenyl-1,3-thiazol-2-yl)thian-4-yl]-4-(2-fluorophenyl)butanamide

C24H26FN3O3S2 — CID 71463121

IUPAC(3R)-3-amino-N-[1,1-dioxo-4-(4-phenyl-1,3-thiazol-2-yl)thian-4-yl]-4-(2-fluorophenyl)butanamide
SMILESN[C@@H](CC(=O)NC1(c2nc(-c3ccccc3)cs2)CCS(=O)(=O)CC1)Cc1ccccc1F
InChIInChI=1S/C24H26FN3O3S2/c25-20-9-5-4-8-18(20)14-19(26)15-22(29)28-24(10-12-33(30,31)13-11-24)23-27-21(16-32-23)17-6-2-1-3-7-17/h1-9,16,19H,10-15,26H2,(H,28,29)/t19-/m1/s1
InChIKeyVAZDHWYBVPKEEP-LJQANCHMSA-N
MW487.62 g/mol
LogP3.43
Rot. Bonds7

About (3R)-3-amino-N-[1,1-dioxo-4-(4-phenyl-1,3-thiazol-2-yl)thian-4-yl]-4-(2-fluorophenyl)butanamide

(3R)-3-amino-N-[1,1-dioxo-4-(4-phenyl-1,3-thiazol-2-yl)thian-4-yl]-4-(2-fluorophenyl)butanamide (PubChem CID 71463121) has the molecular formula C24H26FN3O3S2 and a molecular weight of 487.62 g/mol. Its IUPAC name is (3R)-3-amino-N-[1,1-dioxo-4-(4-phenyl-1,3-thiazol-2-yl)thian-4-yl]-4-(2-fluorophenyl)butanamide.

Molecular Properties

Compound Name(3R)-3-amino-N-[1,1-dioxo-4-(4-phenyl-1,3-thiazol-2-yl)thian-4-yl]-4-(2-fluorophenyl)butanamide
PubChem CID71463121
Molecular FormulaC24H26FN3O3S2
Molecular Weight487.62 g/mol
Exact Mass487.14
IUPAC Name(3R)-3-amino-N-[1,1-dioxo-4-(4-phenyl-1,3-thiazol-2-yl)thian-4-yl]-4-(2-fluorophenyl)butanamide
SMILESN[C@@H](CC(=O)NC1(c2nc(-c3ccccc3)cs2)CCS(=O)(=O)CC1)Cc1ccccc1F
InChIInChI=1S/C24H26FN3O3S2/c25-20-9-5-4-8-18(20)14-19(26)15-22(29)28-24(10-12-33(30,31)13-11-24)23-27-21(16-32-23)17-6-2-1-3-7-17/h1-9,16,19H,10-15,26H2,(H,28,29)/t19-/m1/s1
InChIKeyVAZDHWYBVPKEEP-LJQANCHMSA-N
XLogP3.43
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.62
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-N-[1,1-dioxo-4-(4-phenyl-1,3-thiazol-2-yl)thian-4-yl]-4-(2-fluorophenyl)butanamide?
The IUPAC name of (3R)-3-amino-N-[1,1-dioxo-4-(4-phenyl-1,3-thiazol-2-yl)thian-4-yl]-4-(2-fluorophenyl)butanamide (CID 71463121) is (3R)-3-amino-N-[1,1-dioxo-4-(4-phenyl-1,3-thiazol-2-yl)thian-4-yl]-4-(2-fluorophenyl)butanamide.
What is the SMILES notation for (3R)-3-amino-N-[1,1-dioxo-4-(4-phenyl-1,3-thiazol-2-yl)thian-4-yl]-4-(2-fluorophenyl)butanamide?
The canonical SMILES for (3R)-3-amino-N-[1,1-dioxo-4-(4-phenyl-1,3-thiazol-2-yl)thian-4-yl]-4-(2-fluorophenyl)butanamide is N[C@@H](CC(=O)NC1(c2nc(-c3ccccc3)cs2)CCS(=O)(=O)CC1)Cc1ccccc1F.
What is the InChIKey of (3R)-3-amino-N-[1,1-dioxo-4-(4-phenyl-1,3-thiazol-2-yl)thian-4-yl]-4-(2-fluorophenyl)butanamide?
The InChIKey is VAZDHWYBVPKEEP-LJQANCHMSA-N. The full InChI is InChI=1S/C24H26FN3O3S2/c25-20-9-5-4-8-18(20)14-19(26)15-22(29)28-24(10-12-33(30,31)13-11-24)23-27-21(16-32-23)17-6-2-1-3-7-17/h1-9,16,19H,10-15,26H2,(H,28,29)/t19-/m1/s1.
What are the key properties of (3R)-3-amino-N-[1,1-dioxo-4-(4-phenyl-1,3-thiazol-2-yl)thian-4-yl]-4-(2-fluorophenyl)butanamide?
(3R)-3-amino-N-[1,1-dioxo-4-(4-phenyl-1,3-thiazol-2-yl)thian-4-yl]-4-(2-fluorophenyl)butanamide has a molecular weight of 487.62 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-N-[1,1-dioxo-4-(4-phenyl-1,3-thiazol-2-yl)thian-4-yl]-4-(2-fluorophenyl)butanamide is sourced from PubChem (CID 71463121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).